Geometry & MOs

Info

ID:	94392
PubChem CID:	50000632
Reduced:	N5O5C30H41 (1)
Stoich.:	A5B5C30D41 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-211.03
Dipole, Da:	6.22
IP(EA), eV:	-8.73(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations